| SpectraBase Compound ID | 1P2BsG5bimD |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(32-31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,20-26,30-31H,2,7-12,14-16,18H2,1,3-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | MUKFLVKMTBSLHF-QZLGOQTBSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5DIE8u2DAtB |
|---|---|
| Name | (24-S)-24-ETHYL-5-ALPHA-HYDRO-PEROXY-CHOLESTA-6,25-DIEN-3-BETA-OL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-13-17-29(32-31)18-22(30)12-16-28(29,6)26(23)14-15-27(24,25)5/h13,17,20-26,30-31H,2,7-12,14-16,18H2,1,3-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | MUKFLVKMTBSLHF-QZLGOQTBSA-N |
| Literature Reference Author | J.H.SHEU,C.C.LIAW,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,58,1521(1995) |
| Literature Reference DOI | 10.1021/np50124a007 |
| Molecular Weight | 444.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU584 |